1.0 2010-04-08 22:05:01 UTC 2019-11-26 02:56:35 UTC FDB001561 Derhamnosylmaysin Derhamnosylmaysin is a member of the class of compounds known as flavonoid c-glycosides. Flavonoid c-glycosides are compounds containing a carbohydrate moiety which is C-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone. Derhamnosylmaysin is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Derhamnosylmaysin can be found in corn, which makes derhamnosylmaysin a potential biomarker for the consumption of this food product. C21H18O10 430.3616 430.089996796 6-[(2R,3S,4S,6S)-3,4-dihydroxy-6-methyl-5-oxooxan-2-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one 6-[(2R,3S,4S,6S)-3,4-dihydroxy-6-methyl-5-oxooxan-2-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one C[C@@H]1O[C@@H]([C@@H](O)[C@H](O)C1=O)C1=C(O)C=C2OC(=CC(=O)C2=C1O)C1=CC(O)=C(O)C=C1 InChI=1S/C21H18O10/c1-7-17(26)19(28)20(29)21(30-7)16-12(25)6-14-15(18(16)27)11(24)5-13(31-14)8-2-3-9(22)10(23)4-8/h2-7,19-23,25,27-29H,1H3/t7-,19+,20-,21+/m0/s1 WDPQNSQNFBXQCI-IMQBRNHPSA-N belongs to the class of organic compounds known as flavonoid c-glycosides. Flavonoid C-glycosides are compounds containing a carbohydrate moiety which is C-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone. Flavonoid C-glycosides Organic compounds Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Aromatic heteropolycyclic compounds 1,2-diols 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Benzene and substituted derivatives Catechols Chromones Cyclic ketones Dialkyl ethers Flavones Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Oxacyclic compounds Oxanes Pyranones and derivatives Secondary alcohols Vinylogous acids 1,2-diol 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid Alcohol Aromatic heteropolycyclic compound Benzenoid Benzopyran Carbonyl group Catechol Chromone Cyclic ketone Dialkyl ether Ether Flavone Flavonoid c-glycoside Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Ketone Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Pyran Pyranone Secondary alcohol Vinylogous acid logp 1.60 ALOGPS logs -2.54 ALOGPS solubility 1.25e+00 g/l ALOGPS logp 1.31 ChemAxon pka_strongest_acidic 6.2 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 6-[(2R,3S,4S,6S)-3,4-dihydroxy-6-methyl-5-oxooxan-2-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one ChemAxon average_mass 430.3616 ChemAxon mono_mass 430.089996796 ChemAxon smiles C[C@@H]1O[C@@H]([C@@H](O)[C@H](O)C1=O)C1=C(O)C=C2OC(=CC(=O)C2=C1O)C1=CC(O)=C(O)C=C1 ChemAxon formula C21H18O10 ChemAxon inchi InChI=1S/C21H18O10/c1-7-17(26)19(28)20(29)21(30-7)16-12(25)6-14-15(18(16)27)11(24)5-13(31-14)8-2-3-9(22)10(23)4-8/h2-7,19-23,25,27-29H,1H3/t7-,19+,20-,21+/m0/s1 ChemAxon inchikey WDPQNSQNFBXQCI-IMQBRNHPSA-N ChemAxon polar_surface_area 173.98 ChemAxon refractivity 105.7 ChemAxon polarizability 41.98 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 10 ChemAxon donor_count 6 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 104187 Specdb::MsMs 104188 Specdb::MsMs 104189 Specdb::MsMs 170406 Specdb::MsMs 170407 Specdb::MsMs 170408 Specdb::MsMs 3597788 Specdb::MsMs 3597789 Specdb::MsMs 3597790 Specdb::MsMs 3597791 Specdb::MsMs 3597792 Specdb::MsMs 3597793 Corn Type 1 specific Zea mays 4577